Geometry & MOs

Info

ID:	46403
PubChem CID:	10524274
Reduced:	NO3C25H25 (1)
Stoich.:	AB3C25D25 (1)
Weight, g/mol:	387.215806
ΔH_f, kcal/mol:	-59.3
Dipole, Da:	4.88
IP(EA), eV:	-8.9(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3R)-3-[[(2S)-3-(1H-indol-3-yl)-1-(methylamino)-1-oxopropan-2-yl]carbamoyl]heptanoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)COC1=CC=C(C=C1)CCC2=CC3=C(C=C2)C=C(C=C3)C#N

DOS

IR

Vibrations